Multiscale QM/MM Simulations Identify the Roles of Asp239 and 1-OH···Nucleophile in Transition State Stabilization in Arabidopsis thaliana Cell-Wall Invertase 1. - Wijitra Meelua; Tanchanok Wanjai; Natechanok Thinkumrob; Ran Friedman; Jitrayut Jitonnom (J. Chem. Inf. Model., 2023)